Information card for entry 4334800

Structure parameters

• Formula: C46 H42 Cl2 Fe N2 P2 Ru
• Calculated formula: C46 H42 Cl2 Fe N2 P2 Ru
• SMILES: [Ru]1(Cl)(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[NH2][c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([NH2]1)[cH]7[cH]8[cH]9[cH]%102
• Title of publication: Characterization of an Iron-Ruthenium Interaction in a Ferrocene Diamide Complex
• Authors of publication: Aaron G. Green; Matthew D. Kiesz; Jeremy V. Oria; Andrew G. Elliott; Andrew K. Buechler; Johannes Hohenberger; Karsten Meyer; Jeffrey I. Zink; Paula L. Diaconescu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5603 - 5610
• a: 11.108 ± 0.002 Å
• b: 12.22 ± 0.003 Å
• c: 15.365 ± 0.003 Å
• α: 89.53 ± 0.002°
• β: 71.884 ± 0.002°
• γ: 86.422 ± 0.002°
• Cell volume: 1978.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0227
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections included in the refinement: 0.0545
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No